SCHEMBL625386

SCHEMBL625386

NCCCCCCNS(=O)(=O)c1c(Cl)cc(Cl)cc1Cl

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 9/20 0.54
CYP1A2 P05177 8/20 0.54
CYP2C19 P33261 8/20 0.54
CYP2C9 P11712 7/20 0.54
MEN1 O00255 7/20 0.54
KMT2A Q03164 7/20 0.54
TP53 P04637 6/20 0.54
CYP2D6 P10635 6/20 0.54
ALDH1A1 P00352 5/20 0.54
TSHR P16473 4/20 0.54
MAPK1 P28482 3/20 0.54
THPO P40225 2/20 0.54
FPR2 P25090 2/20 0.54
TDP1 Q9NUW8 2/20 0.54
MAPT P10636 1/20 0.54
ALOX15 P16050 1/20 0.54
SCN1A P35498 3/20 0.52
SCN2A Q99250 3/20 0.52
SCN3A Q9NY46 3/20 0.52
LMNA P02545 3/20 0.52

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL625167 0.81 FABP4 (0.49) CYP3A4CYP1A2CYP2C19CYP2C9MEN1
SCHEMBL4128136 0.80 CYP3A4 (0.58) CYP3A4CYP1A2CYP2C19CYP2C9MEN1
SCHEMBL11576786 0.79 FABP4 (0.47) TP53ALDH1A1MAPK1NPSR1FABP4
SCHEMBL3489059 0.79 CYP3A4 (0.47) CYP3A4CYP1A2CYP2C19MEN1KMT2A
SCHEMBL3490267 0.79 CYP3A4 (0.47) CYP3A4CYP1A2CYP2C19MEN1KMT2A
SCHEMBL644543 0.78 FABP4 (0.73) ALDH1A1MAPK1LMNATHRBFABP4
SCHEMBL11629929 0.77 ALDH1A1 (0.59) CYP3A4CYP1A2CYP2C19CYP2C9MEN1
SCHEMBL7134091 0.76 FABP4 (0.64) CYP3A4CYP1A2CYP2C19CYP2C9MEN1
Hydrochloric Acid SCHEMBL11625827 0.75 KMT2A (0.58) CYP3A4CYP1A2CYP2C19CYP2C9MEN1
SCHEMBL3490280 0.75 NR3C1 (0.42) CYP3A4CYP1A2CYP2C19MEN1KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9192569-B2 Formulations for infusion of type B lantibiotics NOVACTA BIOSYSTEMS LIMITED (GB) 2015-11-24 US disclosed
US-9006392-B2 Actagardine derivatives, and pharmaceutical use thereof NOVACTA BIOSYSTEMS LIMITED (GB) 2015-04-14 US disclosed
US-8729031-B2 Compounds NOVACTA BIOSYSTEMS LIMITED (GB) 2014-05-20 US disclosed
EP-2603204-A2 FORMULATIONS FOR INFUSION OF TYPE B LANTIBIOTICS Novacta Biosystems Limited (GB) 2013-06-19 EP disclosed
US-20130137630-A1 FORMULATIONS FOR INFUSION OF TYPE B LANTIBIOTICS NOVACTA BIOSYSTEMS LIMITED (GB) 2013-05-30 US disclosed
US-20120302728-A1 Actagardine Derivatives, and Pharmaceutical Use Thereof NOVACTA BIOSYSTEMS LIMITED (GB) 2012-11-29 US disclosed
WO-2012020219-A2 FORMULATIONS FOR INFUSION OF TYPE B LANTIBIOTICS NOVACTA BIOSYSTEMS LIMITED (GB) 2012-02-16 WO disclosed
EP-2393829-A1 ACTAGARDINE DERIVATIVES Novacta Biosystems Limited (GB) 2011-12-14 EP disclosed
US-20110294723-A1 Compounds NOVACTA BIOSYSTEMS LIMITED (GB) 2011-12-01 US disclosed
WO-2011095769-A1 ACTAGARDINE DERIVATIVES, AND PHARMACEUTICAL USE THEREOF NOVACTA BIOSYSTEMS LIMITED (GB) 2011-08-11 WO disclosed
WO-2010089544-A1 ACTAGARDINE DERIVATIVES NOVACTA BIOSYSTEMS LIMITED (GB) 2010-08-12 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20130137630-A1 FORMULATIONS FOR INFUSION OF TYPE B LANTIBIOTICS SLC5A2, SLC5A11, SPTSSB CYP3A4 4601/4885CYP1A2 4692/4885CYP2C19 4178/4885
US-20120302728-A1 Actagardine Derivatives, and Pharmaceutical Use Thereof GALR2, GALR1, GALR3 CYP3A4 2881/4885CYP1A2 3136/4885CYP2C19 1954/4885
US-20110294723-A1 Compounds SLC11A2, SDHA, SDHB CYP3A4 374/4885CYP1A2 165/4885CYP2C19 66/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.